![CAS 2250187-15-4 10-[4-[4,6-Di(adamantan-1-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-9,10-dihydroacridine (purified by sublimation) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5745-jpgcontextbwfzdgvyfhjvb3r8mzq3njn8aw1hz2uvanblz3xoywuvagy0lzkwntk0odmwota5nzqvrdu3nduuanbnfde2y2i2mgi5mdnjzjvhnjzmmmy1yzqwndfindblmge5zjqynmqyn2ixngi4zdyyndu2ytlmymnhzde1odazowy.jpeg)
CAS RN: 2250187-15-4
10-[4-[4,6-Di(adamantan-1-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethyl-9,10-dihydroacridine (purified by sublimation)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250321 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTD5745
- Purity/Analytical Methods: >99.0%(HPLC)
2250187-15-4 / 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
Basic Information
CAS
2250187-15-4
Multi CAS
No
Molecular Formula
C44H48N4
Molecular Weight
632.900000
Exact Mass
632.387898
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=NC(=NC(=N5)C67CC8CC(C6)CC(C8)C7)C91CC2CC(C9)CC(C2)C1)C
InChI
InChI=1S/C44H48N4/c1-42(2)35-7-3-5-9-37(35)48(38-10-6-4-8-36(38)42)34-13-11-33(12-14-34)39-45-40(43-21-27-15-28(22-43)17-29(16-27)23-43)47-41(46-39)44-24-30-18-31(25-44)20-32(19-30)26-44/h3-14,27-32H,15-26H2,1-2H3
InChIKey
IJEUALPNTNDVKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
24
Fraction Csp3
0.52
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
191.77
TPSA
41.91
LogP / Solubility
WLOGP
10.58
MLOGP
9.37
XLogP3
11.5
Consensus LogP
10.48
Log S (ESOL)
-10.54
Class (ESOL)
Insoluble
Log S (Ali)
-12.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.93
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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